INTEGRATION OF CHROMATOGRAPHIC TECHNIQUES USING AI TOOLS

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Authors: Sufiya.SKa, *Sai Teja.B, E.V.S. Prakash, Venkata Suresh.P
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Abstract

Artificial intelligence (AI) has gained prominence as an effective analytical support tool in modern chromatography, augmenting traditional experimental and statistical methodologies. In contrast to conventional trial-and-error approaches, AI-driven algorithms can process extensive and complex chromatographic datasets, uncover hidden patterns, and facilitate data-driven decision-making. Within chromatographic analysis, AI plays a growing role in automated data processing, peak detection and deconvolution, retention time prediction, and compound identification—particularly for complex mixtures where manual interpretation is labor-intensive and prone to variability Machine learning (ML) models such as artificial neural networks (ANNs), support vector machines (SVMs), and random forest algorithms are increasingly utilized to optimize chromatographic parameters, including mobile phase composition, flow rate, gradient profile, and column selection. By learning from historical experimental data, these models can predict optimal conditions with fewer experimental trials, thereby enhancing efficiency and conserving resources. AI-assisted peak integration further improves data consistency by reducing operator-dependent variability and enhancing reproducibility across laboratories. In pharmaceutical research and quality control, AI-enhanced chromatography accelerates method development, impurity profiling, and stability studies. During drug development, it enables rapid formulation screening and real-time monitoring of degradation products. In quality control operations, AI-enabled automation increases throughput while ensuring data integrity. Similarly, environmental and food analyses benefit from AI-assisted chromatographic techniques for trace-level detection and classification of contaminants. Despite its advantages, regulatory compliance remains a crucial consideration. Algorithm transparency, data traceability, model validation, and adherence to established analytical guidelines are essential for regulatory acceptance. AI models must be comprehensively documented, robust, and reproducible to ensure reliability in regulated settings. Looking ahead, the continuous integration of AI with chromatographic instrumentation and data management systems is expected to further streamline analytical workflows. With appropriate validation and regulatory harmonization, AI is poised to become a standard supportive technology in chromatographic analysis, augmenting analytical performance while preserving the essential role of scientific judgment. Keywords: Artificial intelligence, chromatographic analysis, pharmaceutical quality control, regulatory compliance, AI assisted chromatography, automated data analysis, analytical validation.

Fields of Study & Subjects

Analytical Chemistry and Chromatography Computational Drug Discovery Methods Protein purification and stability

Publication details

Journal / source
Zenodo (CERN European Organization for Nuclear Research)
Publication date
5 January 2026